CID 34649

P-cyclopropyl-alpha-((isopropylamino)methyl)-benzyl alcohol hydrochloride

Structural Information

Molecular Formula
C14H21NO
SMILES
CC(C)NCC(C1=CC=C(C=C1)C2CC2)O
InChI
InChI=1S/C14H21NO/c1-10(2)15-9-14(16)13-7-5-12(6-8-13)11-3-4-11/h5-8,10-11,14-16H,3-4,9H2,1-2H3
InChIKey
ZUJNDDLMYRXHOU-UHFFFAOYSA-N
Compound name
1-(4-cyclopropylphenyl)-2-(propan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 146.6
[M+Na]+ 242.15153 153.0
[M-H]- 218.15503 152.5
[M+NH4]+ 237.19613 159.4
[M+K]+ 258.12547 149.5
[M+H-H2O]+ 202.15957 139.9
[M+HCOO]- 264.16051 168.1
[M+CH3COO]- 278.17616 194.8
[M+Na-2H]- 240.13698 150.0
[M]+ 219.16176 147.6
[M]- 219.16286 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.